1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea

C20H23FN2O — CID 51128665

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(C)cc1F)C1CCc2ccccc21
InChIInChI=1S/C20H23FN2O/c1-3-12-23(19-11-9-15-6-4-5-7-16(15)19)20(24)22-18-10-8-14(2)13-17(18)21/h4-8,10,13,19H,3,9,11-12H2,1-2H3,(H,22,24)
InChIKeyHRVAZMATTANIAN-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.07
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea

1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea (PubChem CID 51128665) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea
PubChem CID51128665
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(C)cc1F)C1CCc2ccccc21
InChIInChI=1S/C20H23FN2O/c1-3-12-23(19-11-9-15-6-4-5-7-16(15)19)20(24)22-18-10-8-14(2)13-17(18)21/h4-8,10,13,19H,3,9,11-12H2,1-2H3,(H,22,24)
InChIKeyHRVAZMATTANIAN-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea
CID 52528168
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 111790468
3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790504
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(4-methylphenyl)urea
CID 111347466
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 111790521
3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790491
N-(2-bromo-4-methylphenyl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36675023
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
1-(2,3-dihydro-1H-inden-1-yl)-1-[(2,4-dimethylphenyl)methyl]-3-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]urea
CID 54375949
1-benzyl-3-(2-fluoro-4-methylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711638
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 111333592

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea (CID 51128665) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea is CCCN(C(=O)Nc1ccc(C)cc1F)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea?
The InChIKey is HRVAZMATTANIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-3-12-23(19-11-9-15-6-4-5-7-16(15)19)20(24)22-18-10-8-14(2)13-17(18)21/h4-8,10,13,19H,3,9,11-12H2,1-2H3,(H,22,24).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea?
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea has a molecular weight of 326.42 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea is sourced from PubChem (CID 51128665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).